4-Bromo-3,5-dimethoxybenzaldehyde

C₉H₉BrO₃CAS 31558-40-4245.07 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₉H₉BrO₃
Molar mass: 245.07 g/mol
Exact mass: 243.9735 Da
Melting point: 110–111 °C
logP: 2.28Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

31558-40-4

SMILES

COc1cc(C=O)cc(OC)c1Br

InChIKey

UGBJRYUNSXFPOX-UHFFFAOYSA-N

InChI

InChI=1S/C9H9BrO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-5H,1-2H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Benzaldehyde, 4-bromo-3,5-dimethoxy-
3,5-Dimethoxy-4-bromobenzaldehyde

Work with 4-Bromo-3,5-dimethoxybenzaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4,5-Trimethoxybenzaldehyde86-81-766 % similar 5-Bromovanillin2973-76-460 % similar 3-Bromo-4-methoxybenzaldehyde34841-06-056 % similar 2-Bromo-1,3,5-trimethoxybenzene1131-40-455 % similar 3-Iodo-4,5-dimethoxybenzaldehyde32024-15-054 % similar 3,4-Dihydroxy-5-methoxybenzaldehyde3934-87-054 % similar Myristicinaldehyde5780-07-454 % similar 3,5-Dimethoxybenzaldehyde7311-34-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 4-bromo-2-methoxybenzoate139102-34-4 Methyl 2-bromo-5-methoxybenzoate35450-36-3 6-Bromoveratraldehyde5392-10-9 2-Bromo-4-methoxybenzeneacetic acid66916-99-2 3-Bromo-4,5-dimethoxybenzaldehyde6948-30-7

Elsewhere

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